Geometry & MOs

Info

ID:	163834
PubChem CID:	74380524
Reduced:	OSN5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	51.43
Dipole, Da:	4.44
IP(EA), eV:	-8.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)NCC2CC3CC3N2C(=O)C4=C(SC(=N4)C)C5=CC=CC(=C5)C

DOS

IR

Vibrations